2-Pyridinecarbonitrile, 3-ethyl-1,4,5,6-tetrahydro-4-(hydroxyphenylmethyl)-1-methyl-, (R*,R*)- - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	GKAsSCZ0mpn
InChI	InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey	MLIRXJNHTABBMK-UHFFFAOYSA-N Google Search
Mol Weight	256.35 g/mol
Molecular Formula	C16H20N2O
Exact Mass	256.157563 g/mol

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SpectraBase Spectrum ID	7gM3UQcwlZ
Name	1-Methyl-2-cyano-3-ethyl-4-(.alpha.-hydroxy-benzyl)-2-piperideine
CAS Registry Number	73663-52-2
Comments	ISOMER 2,REASSIGNED (A.H.) CHEMICAL SHIFT VALUES MIGHT BE INTERCHANGED BETWEEN BOTH ISOMERS
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C16H20N2O
InChI	InChI=1S/C16H20N2O/c1-3-13-14(9-10-18(2)15(13)11-17)16(19)12-7-5-4-6-8-12/h4-8,14,16,19H,3,9-10H2,1-2H3
InChIKey	MLIRXJNHTABBMK-UHFFFAOYSA-N
Instrument Name	Bruker HX-90
Literature Reference	D.S. Grierson, M. Harris, H.P. Husson, J. Am. Chem. Soc. 102, 1064 (1980).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3